2-methyl-3-octadecylsulfanyl-propanoic acid

Systemtic Name: 2-methyl-3-octadecylsulfanyl-propanoic acid Openeye Name: 2-methyl-3-octadecylsulfanyl-propanoic acid CAS Name: 2-methyl-3-(octadecylthio)propanoic acid IUPAC Name: 2-methyl-3-octadecylsulfanylpropanoic acid Traditional Name: 2-methyl-3-(stearylthio)propionic acid Formula: C22H44O2S MolecularWeight: 372.64856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C)C(=O)O

InChI

InChI=1S/C22H44O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-20-21(2)22(23)24/h21H,3-20H2,1-2H3,(H,23,24)